N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | K784-8958 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | CC(C(NCc1ccc2c(c1)OCO2)=O)Sc1nc2nc(C)cc(C)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8936 |
| logD: | 1.8936 |
| logSw: | -2.6037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.08 |
| InChI Key: | KKOWNMOBQLSNET-LBPRGKRZSA-N |